5291 -OEChem-05052420172D 68 72 0 0 0 0 0 0 0999 V2000 7.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 55 1 0 0 0 0 5 23 1 0 0 0 0 5 29 1 0 0 0 0 5 59 1 0 0 0 0 6 29 1 0 0 0 0 6 30 2 0 0 0 0 7 29 2 0 0 0 0 7 33 1 0 0 0 0 8 35 1 0 0 0 0 8 37 2 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 17 19 2 0 0 0 0 17 52 1 0 0 0 0 18 20 2 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 56 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 31 35 2 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 M END > 5291 > 1 > 706 > 7 > 2 > 7 > AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAAB9AAAHgAQAAAADAjBngQ/0JfIEACoAzV3dACCgCk1AqAJ2CE4ZNiIaPLA3dGUJQholALIyacYiACOSAAAAAQCAACQAAAACAQAAAAAAAAAAA== > 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide > 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide > 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide > 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide > 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide > 4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide > InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) > KTUFNOKKBVMGRW-UHFFFAOYSA-N > 3.5 > 493.25900864 > C29H31N7O > 493.6 > CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 > CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 > 86.3 > 493.25900864 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 16 8 15 17 8 16 18 8 17 19 8 18 20 8 19 20 8 22 24 8 22 26 8 23 24 8 23 25 8 25 27 8 26 27 8 30 32 8 31 34 8 31 35 8 32 33 8 34 36 8 36 37 8 6 29 8 6 30 8 7 29 8 7 33 8 8 35 8 8 37 8 $$$$